N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide

C16H19N3O2S — CID 120604147

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C16H19N3O2S/c1-2-11-7-10-22-14(11)16(21)19-13-6-4-3-5-12(13)15(20)18-9-8-17/h3-7,10H,2,8-9,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyUJILXYRVFPEMED-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide

N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide (PubChem CID 120604147) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide
PubChem CID120604147
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C16H19N3O2S/c1-2-11-7-10-22-14(11)16(21)19-13-6-4-3-5-12(13)15(20)18-9-8-17/h3-7,10H,2,8-9,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyUJILXYRVFPEMED-UHFFFAOYSA-N
XLogP2.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide
CID 107000041
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
3-amino-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 61091897
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromothiophene-3-carboxamide
CID 107143415
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-(2-aminoethyl)-2-[[2-(butanoylamino)acetyl]amino]benzamide
CID 120603546
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-chlorothiophene-2-carboxamide
CID 107000040
N-(2-aminoethyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 120603872
N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120603623
N-(2-aminoethyl)-2-[[2-(5-methylthiophen-2-yl)acetyl]amino]benzamide;hydrochloride
CID 120604324
N-(2-bromo-3-pyridinyl)-3-ethylthiophene-2-carboxamide
CID 103819469
N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide (CID 120604147) is N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)Nc1ccccc1C(=O)NCCN.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide?
The InChIKey is UJILXYRVFPEMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-2-11-7-10-22-14(11)16(21)19-13-6-4-3-5-12(13)15(20)18-9-8-17/h3-7,10H,2,8-9,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide?
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 120604147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).